cyclopentane; 3,3-dimethylbut-1-yne; titanium(3+); zirconium(3+)

Systemtic Name: cyclopentane; 3,3-dimethylbut-1-yne; titanium(3+); zirconium(3+) Openeye Name: cyclopentane; 3,3-dimethylbut-1-yne; titanium(3+); zirconium(3+) CAS Name: cyclopentane; 3,3-dimethyl-1-butyne; titanium(3+); zirconium(3+) IUPAC Name: cyclopentane; 3,3-dimethylbut-1-yne; titanium(3+); zirconium(3+) Traditional Name: cyclopentane; 3,3-dimethylbut-1-yne; titanium(3+); zirconium(3+) Formula: C32H38TiZr+4 MolecularWeight: 561.73512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#[C-].CC(C)(C)C#[C-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+3].[Zr+3]

Isomeric SMILES

CC(C)(C)C#[C-].CC(C)(C)C#[C-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Ti+3].[Zr+3]

InChI

InChI=1S/2C6H9.4C5H5.Ti.Zr/c2*1-5-6(2,3)4;4*1-2-4-5-3-1;;/h2*2-4H3;4*1-5H;;/q2*-1;;;;;2*+3